[gpaw-users] objects are not aligned

kgd kgdu198801 at 126.com
Sat Jul 17 15:08:11 CEST 2010


Dear all,
     when we perform STM simulation using GPAW,an error occurs. The attachments incluse all the calculation files . We first run surface.py and then run the mystm.py. 
 
Traceback (most recent call last):
  File "mystm.py", line 29, in ?
    stm.scan()
  File "/usr/lib64/python2.4/site-packages/gpaw/transport/jstm.py", line 713, in scan
    T_pe[j, estart:estart + nepts] = self.stm_calc.get_transmission(V)
  File "/root/ase/ase/transport/stm.py", line 162, in get_transmission
    v21_a1 = np.dot(v_21, a1[-dim0:])
ValueError: objects are not aligned

 
we don't understand the error,I expect your reply.
Best regards!
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